USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 145:sc= 0.739 USER MOD Set 1.2: A 57 CYS SG : rot -118:sc= -0.0939! USER MOD Set 2.1: A 8 ASN : amide:sc= -2.36 K(o=-13,f=-17!) USER MOD Set 2.2: A 19 GLN : amide:sc= -8.41! C(o=-13!,f=-17!) USER MOD Set 2.3: A 25 TYR OH : rot -5:sc= -2.62! USER MOD Single : A 4 LYS NZ :NH3+ -130:sc= -1.53 (180deg=-4.24!) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.171) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0622 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc=-0.00343 (180deg=-0.211) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -1.78! USER MOD Single : A 32 SER OG : rot 180:sc= -1.97 USER MOD Single : A 37 GLN : amide:sc= -13.9! C(o=-14!,f=-24!) USER MOD Single : A 40 TYR OH : rot 180:sc= -2.39! USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -3.68! (180deg=-7.68!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= 1.98 (180deg=-0.826) USER MOD Single : A 59 SER OG : rot 34:sc= -3.74! USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0.37 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.637 K(o=-0.64,f=-0.12) USER MOD Single : A 69 LYS NZ :NH3+ 156:sc= -0.201 (180deg=-1.19!) USER MOD Single : A 72 HIS : no HD1:sc= -3.87! K(o=-3.9!,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -13.718 7.353 15.129 1.00 0.00 N ATOM 2 CA GLU A 3 -14.881 7.775 14.301 1.00 0.00 C ATOM 3 C GLU A 3 -14.456 8.903 13.361 1.00 0.00 C ATOM 4 O GLU A 3 -14.284 10.031 13.775 1.00 0.00 O ATOM 5 CB GLU A 3 -15.999 8.288 15.211 1.00 0.00 C ATOM 6 CG GLU A 3 -16.510 7.155 16.102 1.00 0.00 C ATOM 7 CD GLU A 3 -17.808 7.595 16.781 1.00 0.00 C ATOM 8 OE1 GLU A 3 -17.730 8.390 17.706 1.00 0.00 O ATOM 9 OE2 GLU A 3 -18.856 7.135 16.366 1.00 0.00 O ATOM 0 HA GLU A 3 -15.236 6.922 13.722 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.630 9.108 15.827 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.816 8.685 14.609 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.683 6.258 15.507 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.761 6.900 16.852 1.00 0.00 H new ATOM 16 N LYS A 4 -14.293 8.612 12.097 1.00 0.00 N ATOM 17 CA LYS A 4 -13.886 9.670 11.131 1.00 0.00 C ATOM 18 C LYS A 4 -14.348 9.277 9.726 1.00 0.00 C ATOM 19 O LYS A 4 -15.422 8.738 9.547 1.00 0.00 O ATOM 20 CB LYS A 4 -12.364 9.833 11.170 1.00 0.00 C ATOM 21 CG LYS A 4 -11.687 8.491 10.875 1.00 0.00 C ATOM 22 CD LYS A 4 -10.159 8.660 10.876 1.00 0.00 C ATOM 23 CE LYS A 4 -9.640 8.934 12.297 1.00 0.00 C ATOM 24 NZ LYS A 4 -9.770 10.384 12.612 1.00 0.00 N ATOM 0 H LYS A 4 -14.425 7.685 11.693 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.348 10.620 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.051 10.577 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.054 10.199 12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.980 7.755 11.623 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.018 8.112 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.689 7.760 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.879 9.482 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.203 8.344 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.597 8.627 12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.866 10.741 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.021 10.906 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.514 10.519 13.326 1.00 0.00 H new ATOM 38 N ARG A 5 -13.557 9.544 8.725 1.00 0.00 N ATOM 39 CA ARG A 5 -13.965 9.186 7.336 1.00 0.00 C ATOM 40 C ARG A 5 -13.628 7.718 7.066 1.00 0.00 C ATOM 41 O ARG A 5 -12.703 7.173 7.632 1.00 0.00 O ATOM 42 CB ARG A 5 -13.219 10.078 6.348 1.00 0.00 C ATOM 43 CG ARG A 5 -13.687 11.527 6.516 1.00 0.00 C ATOM 44 CD ARG A 5 -13.191 12.369 5.338 1.00 0.00 C ATOM 45 NE ARG A 5 -11.719 12.548 5.447 1.00 0.00 N ATOM 46 CZ ARG A 5 -11.035 12.947 4.411 1.00 0.00 C ATOM 47 NH1 ARG A 5 -11.633 13.134 3.264 1.00 0.00 N ATOM 48 NH2 ARG A 5 -9.750 13.144 4.517 1.00 0.00 N ATOM 0 H ARG A 5 -12.646 9.995 8.807 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.039 9.333 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.145 10.009 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.402 9.741 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.775 11.564 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.308 11.936 7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.441 11.880 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.688 13.339 5.335 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.245 12.359 6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.636 12.968 3.179 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.097 13.446 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.282 12.986 5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.213 13.456 3.708 1.00 0.00 H new ATOM 62 N ARG A 6 -14.386 7.067 6.214 1.00 0.00 N ATOM 63 CA ARG A 6 -14.127 5.620 5.916 1.00 0.00 C ATOM 64 C ARG A 6 -14.233 5.372 4.405 1.00 0.00 C ATOM 65 O ARG A 6 -14.536 6.263 3.636 1.00 0.00 O ATOM 66 CB ARG A 6 -15.175 4.765 6.644 1.00 0.00 C ATOM 67 CG ARG A 6 -15.431 5.337 8.049 1.00 0.00 C ATOM 68 CD ARG A 6 -15.977 4.240 8.968 1.00 0.00 C ATOM 69 NE ARG A 6 -16.161 4.788 10.343 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.830 4.108 11.234 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.363 2.962 10.910 1.00 0.00 N ATOM 72 NH2 ARG A 6 -16.969 4.572 12.445 1.00 0.00 N ATOM 0 H ARG A 6 -15.174 7.476 5.711 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.126 5.353 6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.104 4.748 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.828 3.734 6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.506 5.741 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.141 6.162 7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.927 3.868 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.289 3.395 8.991 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.764 5.695 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.256 2.600 9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -17.886 2.428 11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.554 5.469 12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.492 4.038 13.139 1.00 0.00 H new ATOM 86 N ASP A 7 -13.989 4.160 3.981 1.00 0.00 N ATOM 87 CA ASP A 7 -14.078 3.836 2.528 1.00 0.00 C ATOM 88 C ASP A 7 -15.540 3.591 2.141 1.00 0.00 C ATOM 89 O ASP A 7 -16.451 4.015 2.824 1.00 0.00 O ATOM 90 CB ASP A 7 -13.247 2.583 2.234 1.00 0.00 C ATOM 91 CG ASP A 7 -13.787 1.404 3.052 1.00 0.00 C ATOM 92 OD1 ASP A 7 -13.736 1.483 4.269 1.00 0.00 O ATOM 93 OD2 ASP A 7 -14.241 0.444 2.450 1.00 0.00 O ATOM 0 H ASP A 7 -13.731 3.377 4.582 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.691 4.672 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.287 2.349 1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.201 2.762 2.482 1.00 0.00 H new ATOM 98 N ASN A 8 -15.774 2.920 1.044 1.00 0.00 N ATOM 99 CA ASN A 8 -17.180 2.665 0.614 1.00 0.00 C ATOM 100 C ASN A 8 -17.893 1.771 1.634 1.00 0.00 C ATOM 101 O ASN A 8 -19.099 1.821 1.777 1.00 0.00 O ATOM 102 CB ASN A 8 -17.188 1.985 -0.763 1.00 0.00 C ATOM 103 CG ASN A 8 -16.111 0.900 -0.815 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.097 -0.002 -0.003 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.195 0.957 -1.743 1.00 0.00 N ATOM 0 H ASN A 8 -15.055 2.539 0.429 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.705 3.618 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.167 1.547 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.010 2.724 -1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.467 0.243 -1.786 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.207 1.715 -2.425 1.00 0.00 H new ATOM 112 N ARG A 9 -17.165 0.953 2.343 1.00 0.00 N ATOM 113 CA ARG A 9 -17.806 0.056 3.345 1.00 0.00 C ATOM 114 C ARG A 9 -17.819 0.744 4.712 1.00 0.00 C ATOM 115 O ARG A 9 -18.780 1.385 5.090 1.00 0.00 O ATOM 116 CB ARG A 9 -16.986 -1.232 3.447 1.00 0.00 C ATOM 117 CG ARG A 9 -17.293 -2.148 2.258 1.00 0.00 C ATOM 118 CD ARG A 9 -16.472 -3.426 2.392 1.00 0.00 C ATOM 119 NE ARG A 9 -16.555 -4.207 1.112 1.00 0.00 N ATOM 120 CZ ARG A 9 -17.696 -4.645 0.662 1.00 0.00 C ATOM 121 NH1 ARG A 9 -18.768 -4.559 1.399 1.00 0.00 N ATOM 122 NH2 ARG A 9 -17.757 -5.213 -0.511 1.00 0.00 N ATOM 0 H ARG A 9 -16.151 0.867 2.271 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.828 -0.168 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.922 -0.994 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.216 -1.746 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.357 -2.385 2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.054 -1.643 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.433 -3.183 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.845 -4.026 3.222 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.702 -4.398 0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.715 -4.148 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.660 -4.903 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.912 -5.313 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.650 -5.557 -0.865 1.00 0.00 H new ATOM 136 N GLY A 10 -16.756 0.610 5.453 1.00 0.00 N ATOM 137 CA GLY A 10 -16.699 1.249 6.799 1.00 0.00 C ATOM 138 C GLY A 10 -15.319 1.030 7.430 1.00 0.00 C ATOM 139 O GLY A 10 -15.163 1.088 8.633 1.00 0.00 O ATOM 0 H GLY A 10 -15.923 0.086 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.902 2.316 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.472 0.829 7.442 1.00 0.00 H new ATOM 143 N ARG A 11 -14.311 0.773 6.635 1.00 0.00 N ATOM 144 CA ARG A 11 -12.946 0.547 7.206 1.00 0.00 C ATOM 145 C ARG A 11 -12.191 1.873 7.337 1.00 0.00 C ATOM 146 O ARG A 11 -12.192 2.696 6.443 1.00 0.00 O ATOM 147 CB ARG A 11 -12.161 -0.400 6.298 1.00 0.00 C ATOM 148 CG ARG A 11 -12.730 -1.815 6.436 1.00 0.00 C ATOM 149 CD ARG A 11 -11.933 -2.787 5.561 1.00 0.00 C ATOM 150 NE ARG A 11 -12.472 -2.741 4.177 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.776 -3.218 3.184 1.00 0.00 C ATOM 152 NH1 ARG A 11 -10.585 -3.704 3.394 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.274 -3.202 1.978 1.00 0.00 N ATOM 0 H ARG A 11 -14.372 0.710 5.619 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.051 0.105 8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.227 -0.068 5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.105 -0.391 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.688 -2.133 7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.779 -1.824 6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.877 -2.517 5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.004 -3.799 5.960 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.391 -2.334 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.196 -3.711 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.042 -4.077 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.205 -2.817 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.733 -3.574 1.198 1.00 0.00 H new ATOM 167 N ILE A 12 -11.540 2.072 8.453 1.00 0.00 N ATOM 168 CA ILE A 12 -10.768 3.330 8.669 1.00 0.00 C ATOM 169 C ILE A 12 -9.459 3.259 7.874 1.00 0.00 C ATOM 170 O ILE A 12 -8.594 2.454 8.158 1.00 0.00 O ATOM 171 CB ILE A 12 -10.432 3.471 10.167 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.714 3.652 11.011 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.489 4.659 10.391 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.444 4.969 10.690 1.00 0.00 C ATOM 0 H ILE A 12 -11.510 1.411 9.230 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.361 4.183 8.339 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.937 2.554 10.487 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.386 2.813 10.831 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.455 3.631 12.070 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.260 4.747 11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.566 4.501 9.833 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.969 5.575 10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.338 5.050 11.309 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.783 5.811 10.896 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.729 4.980 9.638 1.00 0.00 H new ATOM 186 N LEU A 13 -9.301 4.105 6.888 1.00 0.00 N ATOM 187 CA LEU A 13 -8.039 4.111 6.081 1.00 0.00 C ATOM 188 C LEU A 13 -7.142 5.233 6.604 1.00 0.00 C ATOM 189 O LEU A 13 -7.613 6.292 6.964 1.00 0.00 O ATOM 190 CB LEU A 13 -8.370 4.335 4.594 1.00 0.00 C ATOM 191 CG LEU A 13 -9.223 5.622 4.399 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.330 6.794 3.956 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.298 5.376 3.325 1.00 0.00 C ATOM 0 H LEU A 13 -9.995 4.797 6.604 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.525 3.154 6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.447 4.416 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.912 3.473 4.205 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.698 5.870 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.941 7.687 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.572 6.982 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.843 6.544 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.893 6.280 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.817 5.116 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.946 4.558 3.640 1.00 0.00 H new ATOM 205 N LYS A 14 -5.859 5.006 6.686 1.00 0.00 N ATOM 206 CA LYS A 14 -4.955 6.065 7.232 1.00 0.00 C ATOM 207 C LYS A 14 -4.519 7.029 6.137 1.00 0.00 C ATOM 208 O LYS A 14 -4.872 6.895 4.983 1.00 0.00 O ATOM 209 CB LYS A 14 -3.713 5.423 7.840 1.00 0.00 C ATOM 210 CG LYS A 14 -4.140 4.400 8.891 1.00 0.00 C ATOM 211 CD LYS A 14 -2.900 3.780 9.570 1.00 0.00 C ATOM 212 CE LYS A 14 -3.212 3.493 11.039 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.375 2.570 11.126 1.00 0.00 N ATOM 0 H LYS A 14 -5.398 4.141 6.402 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.507 6.616 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.122 4.939 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.080 6.186 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.771 4.879 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.737 3.617 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.616 2.859 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.052 4.461 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.344 3.049 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.431 4.423 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.413 2.148 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.252 3.099 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.274 1.816 10.416 1.00 0.00 H new ATOM 227 N THR A 15 -3.745 8.002 6.510 1.00 0.00 N ATOM 228 CA THR A 15 -3.258 9.005 5.516 1.00 0.00 C ATOM 229 C THR A 15 -2.620 8.289 4.327 1.00 0.00 C ATOM 230 O THR A 15 -2.146 7.176 4.438 1.00 0.00 O ATOM 231 CB THR A 15 -2.223 9.934 6.160 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.599 10.707 5.145 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.168 9.105 6.899 1.00 0.00 C ATOM 0 H THR A 15 -3.423 8.152 7.466 1.00 0.00 H new ATOM 0 HA THR A 15 -4.108 9.597 5.176 1.00 0.00 H new ATOM 0 HB THR A 15 -2.718 10.593 6.873 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.937 11.305 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.435 9.771 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.650 8.511 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.667 8.442 6.194 1.00 0.00 H new ATOM 241 N GLY A 16 -2.597 8.924 3.190 1.00 0.00 N ATOM 242 CA GLY A 16 -1.981 8.292 1.993 1.00 0.00 C ATOM 243 C GLY A 16 -2.927 7.239 1.413 1.00 0.00 C ATOM 244 O GLY A 16 -3.126 7.174 0.218 1.00 0.00 O ATOM 0 H GLY A 16 -2.980 9.857 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.764 9.051 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.031 7.830 2.263 1.00 0.00 H new ATOM 248 N GLU A 17 -3.514 6.414 2.242 1.00 0.00 N ATOM 249 CA GLU A 17 -4.443 5.373 1.718 1.00 0.00 C ATOM 250 C GLU A 17 -5.724 6.047 1.210 1.00 0.00 C ATOM 251 O GLU A 17 -6.149 7.058 1.732 1.00 0.00 O ATOM 252 CB GLU A 17 -4.788 4.385 2.836 1.00 0.00 C ATOM 253 CG GLU A 17 -3.562 3.528 3.173 1.00 0.00 C ATOM 254 CD GLU A 17 -3.942 2.473 4.213 1.00 0.00 C ATOM 255 OE1 GLU A 17 -5.124 2.199 4.345 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.045 1.956 4.860 1.00 0.00 O ATOM 0 H GLU A 17 -3.390 6.417 3.254 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.966 4.835 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.119 4.927 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.615 3.746 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.185 3.045 2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.760 4.158 3.556 1.00 0.00 H new ATOM 263 N SER A 18 -6.339 5.506 0.187 1.00 0.00 N ATOM 264 CA SER A 18 -7.583 6.134 -0.357 1.00 0.00 C ATOM 265 C SER A 18 -8.428 5.077 -1.074 1.00 0.00 C ATOM 266 O SER A 18 -7.922 4.059 -1.501 1.00 0.00 O ATOM 267 CB SER A 18 -7.200 7.227 -1.355 1.00 0.00 C ATOM 268 OG SER A 18 -8.374 7.897 -1.791 1.00 0.00 O ATOM 0 H SER A 18 -6.035 4.659 -0.294 1.00 0.00 H new ATOM 0 HA SER A 18 -8.158 6.562 0.464 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.514 7.936 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.679 6.791 -2.207 1.00 0.00 H new ATOM 0 HG SER A 18 -8.132 8.600 -2.430 1.00 0.00 H new ATOM 274 N GLN A 19 -9.714 5.313 -1.213 1.00 0.00 N ATOM 275 CA GLN A 19 -10.606 4.322 -1.909 1.00 0.00 C ATOM 276 C GLN A 19 -11.003 4.862 -3.282 1.00 0.00 C ATOM 277 O GLN A 19 -11.572 5.930 -3.404 1.00 0.00 O ATOM 278 CB GLN A 19 -11.871 4.095 -1.063 1.00 0.00 C ATOM 279 CG GLN A 19 -12.827 3.116 -1.766 1.00 0.00 C ATOM 280 CD GLN A 19 -12.111 1.797 -2.075 1.00 0.00 C ATOM 281 OE1 GLN A 19 -11.377 1.702 -3.038 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.299 0.766 -1.299 1.00 0.00 N ATOM 0 H GLN A 19 -10.187 6.151 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.073 3.379 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.595 3.702 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.376 5.046 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.694 2.927 -1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.198 3.560 -2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.915 0.843 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.830 -0.117 -1.502 1.00 0.00 H new ATOM 291 N ARG A 20 -10.717 4.120 -4.320 1.00 0.00 N ATOM 292 CA ARG A 20 -11.086 4.573 -5.691 1.00 0.00 C ATOM 293 C ARG A 20 -12.546 4.198 -5.970 1.00 0.00 C ATOM 294 O ARG A 20 -13.169 3.469 -5.225 1.00 0.00 O ATOM 295 CB ARG A 20 -10.165 3.902 -6.728 1.00 0.00 C ATOM 296 CG ARG A 20 -8.757 4.568 -6.746 1.00 0.00 C ATOM 297 CD ARG A 20 -8.243 4.673 -8.190 1.00 0.00 C ATOM 298 NE ARG A 20 -6.914 5.354 -8.205 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.189 5.348 -9.293 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.630 4.750 -10.365 1.00 0.00 N ATOM 301 NH2 ARG A 20 -5.030 5.942 -9.312 1.00 0.00 N ATOM 0 H ARG A 20 -10.243 3.218 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.968 5.654 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.065 2.841 -6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.616 3.972 -7.718 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.809 5.560 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.061 3.982 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.158 3.679 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.954 5.230 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.572 5.824 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.539 4.288 -10.354 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.066 4.744 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.685 6.414 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.467 5.935 -10.163 1.00 0.00 H new ATOM 315 N LYS A 21 -13.095 4.703 -7.038 1.00 0.00 N ATOM 316 CA LYS A 21 -14.517 4.396 -7.374 1.00 0.00 C ATOM 317 C LYS A 21 -14.645 2.917 -7.776 1.00 0.00 C ATOM 318 O LYS A 21 -15.728 2.365 -7.796 1.00 0.00 O ATOM 319 CB LYS A 21 -15.018 5.317 -8.526 1.00 0.00 C ATOM 320 CG LYS A 21 -13.865 6.115 -9.152 1.00 0.00 C ATOM 321 CD LYS A 21 -12.957 5.171 -9.946 1.00 0.00 C ATOM 322 CE LYS A 21 -11.741 5.939 -10.452 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.176 6.904 -11.499 1.00 0.00 N ATOM 0 H LYS A 21 -12.619 5.319 -7.698 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.136 4.582 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.501 4.712 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.771 6.005 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.260 6.891 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.292 6.617 -8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.639 4.340 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.505 4.743 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.261 6.468 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.003 5.248 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.342 7.270 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.804 6.423 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.686 7.693 -11.053 1.00 0.00 H new ATOM 337 N ASP A 22 -13.557 2.273 -8.099 1.00 0.00 N ATOM 338 CA ASP A 22 -13.631 0.834 -8.502 1.00 0.00 C ATOM 339 C ASP A 22 -13.446 -0.066 -7.271 1.00 0.00 C ATOM 340 O ASP A 22 -13.942 -1.175 -7.235 1.00 0.00 O ATOM 341 CB ASP A 22 -12.531 0.557 -9.524 1.00 0.00 C ATOM 342 CG ASP A 22 -11.270 1.308 -9.105 1.00 0.00 C ATOM 343 OD1 ASP A 22 -10.919 1.227 -7.940 1.00 0.00 O ATOM 344 OD2 ASP A 22 -10.686 1.962 -9.952 1.00 0.00 O ATOM 0 H ASP A 22 -12.621 2.677 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.606 0.621 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.331 -0.513 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.849 0.877 -10.516 1.00 0.00 H new ATOM 349 N GLY A 23 -12.758 0.408 -6.254 1.00 0.00 N ATOM 350 CA GLY A 23 -12.567 -0.418 -5.010 1.00 0.00 C ATOM 351 C GLY A 23 -11.081 -0.584 -4.670 1.00 0.00 C ATOM 352 O GLY A 23 -10.712 -0.614 -3.511 1.00 0.00 O ATOM 0 H GLY A 23 -12.321 1.329 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.082 0.056 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.021 -1.399 -5.150 1.00 0.00 H new ATOM 356 N ARG A 24 -10.222 -0.709 -5.644 1.00 0.00 N ATOM 357 CA ARG A 24 -8.780 -0.891 -5.317 1.00 0.00 C ATOM 358 C ARG A 24 -8.280 0.320 -4.533 1.00 0.00 C ATOM 359 O ARG A 24 -8.528 1.455 -4.895 1.00 0.00 O ATOM 360 CB ARG A 24 -7.953 -1.069 -6.602 1.00 0.00 C ATOM 361 CG ARG A 24 -8.419 -0.077 -7.675 1.00 0.00 C ATOM 362 CD ARG A 24 -7.333 0.090 -8.747 1.00 0.00 C ATOM 363 NE ARG A 24 -7.936 0.703 -9.982 1.00 0.00 N ATOM 364 CZ ARG A 24 -8.884 0.099 -10.642 1.00 0.00 C ATOM 365 NH1 ARG A 24 -9.198 -1.129 -10.350 1.00 0.00 N ATOM 366 NH2 ARG A 24 -9.486 0.703 -11.632 1.00 0.00 N ATOM 0 H ARG A 24 -10.451 -0.693 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.664 -1.789 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.896 -0.913 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.056 -2.090 -6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.342 -0.432 -8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.641 0.887 -7.218 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.529 0.722 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.892 -0.878 -8.987 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.597 1.608 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.703 -1.619 -9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.940 -1.602 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.215 1.651 -11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.227 0.226 -12.145 1.00 0.00 H new ATOM 380 N TYR A 25 -7.577 0.085 -3.456 1.00 0.00 N ATOM 381 CA TYR A 25 -7.050 1.212 -2.647 1.00 0.00 C ATOM 382 C TYR A 25 -5.704 1.627 -3.219 1.00 0.00 C ATOM 383 O TYR A 25 -5.124 0.932 -4.033 1.00 0.00 O ATOM 384 CB TYR A 25 -6.827 0.770 -1.203 1.00 0.00 C ATOM 385 CG TYR A 25 -8.119 0.303 -0.579 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.077 1.239 -0.184 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.351 -1.065 -0.384 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.270 0.812 0.402 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.545 -1.496 0.206 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.508 -0.554 0.595 1.00 0.00 C ATOM 391 OH TYR A 25 -11.691 -0.972 1.168 1.00 0.00 O ATOM 0 H TYR A 25 -7.347 -0.844 -3.104 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.766 2.033 -2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.092 -0.035 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.417 1.597 -0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.895 2.293 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.608 -1.787 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.010 1.537 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.724 -2.550 0.361 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.213 -0.191 1.447 1.00 0.00 H new ATOM 401 N LEU A 26 -5.188 2.737 -2.785 1.00 0.00 N ATOM 402 CA LEU A 26 -3.865 3.185 -3.282 1.00 0.00 C ATOM 403 C LEU A 26 -3.149 3.935 -2.160 1.00 0.00 C ATOM 404 O LEU A 26 -3.744 4.707 -1.433 1.00 0.00 O ATOM 405 CB LEU A 26 -4.064 4.067 -4.530 1.00 0.00 C ATOM 406 CG LEU A 26 -4.453 5.521 -4.153 1.00 0.00 C ATOM 407 CD1 LEU A 26 -3.194 6.405 -4.050 1.00 0.00 C ATOM 408 CD2 LEU A 26 -5.386 6.107 -5.230 1.00 0.00 C ATOM 0 H LEU A 26 -5.628 3.356 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.248 2.335 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.146 4.077 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.841 3.635 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.962 5.503 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.484 7.422 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.530 6.005 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.676 6.414 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.656 7.128 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.875 6.109 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.288 5.499 -5.300 1.00 0.00 H new ATOM 420 N TYR A 27 -1.873 3.692 -2.006 1.00 0.00 N ATOM 421 CA TYR A 27 -1.088 4.363 -0.925 1.00 0.00 C ATOM 422 C TYR A 27 0.124 5.071 -1.539 1.00 0.00 C ATOM 423 O TYR A 27 0.562 4.734 -2.619 1.00 0.00 O ATOM 424 CB TYR A 27 -0.621 3.313 0.083 1.00 0.00 C ATOM 425 CG TYR A 27 0.207 3.990 1.139 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.402 4.886 2.020 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.574 3.720 1.245 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.356 5.518 3.008 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.334 4.352 2.235 1.00 0.00 C ATOM 430 CZ TYR A 27 1.723 5.246 3.119 1.00 0.00 C ATOM 431 OH TYR A 27 2.474 5.871 4.092 1.00 0.00 O ATOM 0 H TYR A 27 -1.335 3.051 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.712 5.099 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.479 2.817 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.036 2.542 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.459 5.090 1.937 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.043 3.025 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.113 6.216 3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.392 4.149 2.316 1.00 0.00 H new ATOM 0 HH TYR A 27 3.404 5.569 4.032 1.00 0.00 H new ATOM 441 N LYS A 28 0.653 6.066 -0.861 1.00 0.00 N ATOM 442 CA LYS A 28 1.827 6.839 -1.395 1.00 0.00 C ATOM 443 C LYS A 28 3.032 6.679 -0.461 1.00 0.00 C ATOM 444 O LYS A 28 2.901 6.725 0.744 1.00 0.00 O ATOM 445 CB LYS A 28 1.439 8.323 -1.448 1.00 0.00 C ATOM 446 CG LYS A 28 2.551 9.152 -2.105 1.00 0.00 C ATOM 447 CD LYS A 28 2.222 10.643 -1.960 1.00 0.00 C ATOM 448 CE LYS A 28 3.298 11.482 -2.648 1.00 0.00 C ATOM 449 NZ LYS A 28 3.198 12.896 -2.186 1.00 0.00 N ATOM 0 H LYS A 28 0.318 6.379 0.050 1.00 0.00 H new ATOM 0 HA LYS A 28 2.091 6.468 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.511 8.442 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.252 8.691 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.510 8.932 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.643 8.889 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.247 10.854 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.160 10.910 -0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.286 11.083 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.176 11.432 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.930 13.467 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.259 13.274 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.335 12.935 -1.156 1.00 0.00 H new ATOM 463 N TYR A 29 4.216 6.515 -1.007 1.00 0.00 N ATOM 464 CA TYR A 29 5.428 6.384 -0.131 1.00 0.00 C ATOM 465 C TYR A 29 6.663 6.966 -0.850 1.00 0.00 C ATOM 466 O TYR A 29 6.540 7.681 -1.829 1.00 0.00 O ATOM 467 CB TYR A 29 5.650 4.909 0.249 1.00 0.00 C ATOM 468 CG TYR A 29 6.268 4.144 -0.893 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.476 3.732 -1.967 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.632 3.842 -0.872 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.048 3.027 -3.027 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.208 3.134 -1.931 1.00 0.00 C ATOM 473 CZ TYR A 29 7.415 2.725 -3.010 1.00 0.00 C ATOM 474 OH TYR A 29 7.978 2.024 -4.057 1.00 0.00 O ATOM 0 H TYR A 29 4.395 6.467 -2.010 1.00 0.00 H new ATOM 0 HA TYR A 29 5.271 6.949 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.297 4.849 1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.699 4.453 0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.420 3.959 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.242 4.156 -0.037 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.436 2.714 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.263 2.903 -1.917 1.00 0.00 H new ATOM 0 HH TYR A 29 8.954 2.103 -4.016 1.00 0.00 H new ATOM 484 N ILE A 30 7.849 6.682 -0.355 1.00 0.00 N ATOM 485 CA ILE A 30 9.110 7.225 -0.978 1.00 0.00 C ATOM 486 C ILE A 30 9.874 6.103 -1.717 1.00 0.00 C ATOM 487 O ILE A 30 10.041 5.013 -1.210 1.00 0.00 O ATOM 488 CB ILE A 30 9.999 7.830 0.141 1.00 0.00 C ATOM 489 CG1 ILE A 30 9.597 9.293 0.404 1.00 0.00 C ATOM 490 CG2 ILE A 30 11.480 7.789 -0.260 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.086 9.404 0.616 1.00 0.00 C ATOM 0 H ILE A 30 8.001 6.091 0.463 1.00 0.00 H new ATOM 0 HA ILE A 30 8.854 7.996 -1.705 1.00 0.00 H new ATOM 0 HB ILE A 30 9.853 7.237 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.122 9.668 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.899 9.916 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.085 8.218 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.783 6.756 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.625 8.364 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.820 10.445 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.567 9.049 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.793 8.797 1.473 1.00 0.00 H new ATOM 503 N ASP A 31 10.366 6.380 -2.900 1.00 0.00 N ATOM 504 CA ASP A 31 11.140 5.344 -3.650 1.00 0.00 C ATOM 505 C ASP A 31 12.580 5.296 -3.119 1.00 0.00 C ATOM 506 O ASP A 31 12.988 6.115 -2.319 1.00 0.00 O ATOM 507 CB ASP A 31 11.186 5.698 -5.136 1.00 0.00 C ATOM 508 CG ASP A 31 9.776 5.663 -5.722 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.324 4.585 -6.067 1.00 0.00 O ATOM 510 OD2 ASP A 31 9.171 6.716 -5.818 1.00 0.00 O ATOM 0 H ASP A 31 10.265 7.276 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 31 10.653 4.378 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.620 6.689 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.828 4.995 -5.667 1.00 0.00 H new ATOM 515 N SER A 32 13.351 4.346 -3.572 1.00 0.00 N ATOM 516 CA SER A 32 14.769 4.236 -3.114 1.00 0.00 C ATOM 517 C SER A 32 15.546 5.487 -3.536 1.00 0.00 C ATOM 518 O SER A 32 16.688 5.676 -3.161 1.00 0.00 O ATOM 519 CB SER A 32 15.415 3.003 -3.771 1.00 0.00 C ATOM 520 OG SER A 32 14.430 1.995 -3.941 1.00 0.00 O ATOM 0 H SER A 32 13.060 3.636 -4.244 1.00 0.00 H new ATOM 0 HA SER A 32 14.793 4.140 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.846 3.274 -4.735 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.230 2.631 -3.151 1.00 0.00 H new ATOM 0 HG SER A 32 14.836 1.208 -4.361 1.00 0.00 H new ATOM 526 N PHE A 33 14.951 6.314 -4.353 1.00 0.00 N ATOM 527 CA PHE A 33 15.655 7.528 -4.863 1.00 0.00 C ATOM 528 C PHE A 33 15.153 8.788 -4.151 1.00 0.00 C ATOM 529 O PHE A 33 15.693 9.861 -4.327 1.00 0.00 O ATOM 530 CB PHE A 33 15.381 7.640 -6.363 1.00 0.00 C ATOM 531 CG PHE A 33 15.785 6.344 -7.042 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.031 5.174 -6.842 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.910 6.310 -7.875 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.410 3.981 -7.466 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.286 5.114 -8.500 1.00 0.00 C ATOM 536 CZ PHE A 33 16.534 3.952 -8.299 1.00 0.00 C ATOM 0 H PHE A 33 13.996 6.199 -4.693 1.00 0.00 H new ATOM 0 HA PHE A 33 16.724 7.438 -4.672 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.324 7.842 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.939 8.475 -6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.158 5.197 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.489 7.207 -8.036 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.835 3.081 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.157 5.089 -9.138 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.821 3.032 -8.787 1.00 0.00 H new ATOM 546 N GLY A 34 14.135 8.671 -3.339 1.00 0.00 N ATOM 547 CA GLY A 34 13.620 9.867 -2.603 1.00 0.00 C ATOM 548 C GLY A 34 12.436 10.486 -3.347 1.00 0.00 C ATOM 549 O GLY A 34 11.830 11.427 -2.877 1.00 0.00 O ATOM 0 H GLY A 34 13.637 7.800 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.314 9.578 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.415 10.605 -2.495 1.00 0.00 H new ATOM 553 N GLU A 35 12.101 9.985 -4.511 1.00 0.00 N ATOM 554 CA GLU A 35 10.957 10.577 -5.267 1.00 0.00 C ATOM 555 C GLU A 35 9.637 9.904 -4.843 1.00 0.00 C ATOM 556 O GLU A 35 9.632 8.757 -4.443 1.00 0.00 O ATOM 557 CB GLU A 35 11.210 10.404 -6.770 1.00 0.00 C ATOM 558 CG GLU A 35 11.231 8.923 -7.154 1.00 0.00 C ATOM 559 CD GLU A 35 11.309 8.804 -8.678 1.00 0.00 C ATOM 560 OE1 GLU A 35 10.264 8.833 -9.308 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.411 8.688 -9.188 1.00 0.00 O ATOM 0 H GLU A 35 12.566 9.199 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 35 10.873 11.641 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.433 10.919 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.160 10.867 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.085 8.427 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.335 8.425 -6.783 1.00 0.00 H new ATOM 568 N PRO A 36 8.522 10.610 -4.907 1.00 0.00 N ATOM 569 CA PRO A 36 7.197 10.048 -4.502 1.00 0.00 C ATOM 570 C PRO A 36 6.558 9.151 -5.572 1.00 0.00 C ATOM 571 O PRO A 36 6.785 9.313 -6.754 1.00 0.00 O ATOM 572 CB PRO A 36 6.342 11.300 -4.279 1.00 0.00 C ATOM 573 CG PRO A 36 6.887 12.308 -5.238 1.00 0.00 C ATOM 574 CD PRO A 36 8.386 12.010 -5.375 1.00 0.00 C ATOM 0 HA PRO A 36 7.290 9.402 -3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.288 11.099 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.416 11.652 -3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.387 12.235 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.725 13.321 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.721 12.120 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.985 12.692 -4.771 1.00 0.00 H new ATOM 582 N GLN A 37 5.745 8.219 -5.151 1.00 0.00 N ATOM 583 CA GLN A 37 5.062 7.312 -6.116 1.00 0.00 C ATOM 584 C GLN A 37 3.809 6.738 -5.436 1.00 0.00 C ATOM 585 O GLN A 37 3.529 7.056 -4.297 1.00 0.00 O ATOM 586 CB GLN A 37 6.031 6.196 -6.531 1.00 0.00 C ATOM 587 CG GLN A 37 6.199 5.187 -5.396 1.00 0.00 C ATOM 588 CD GLN A 37 6.513 5.933 -4.098 1.00 0.00 C ATOM 589 OE1 GLN A 37 5.707 5.963 -3.196 1.00 0.00 O ATOM 590 NE2 GLN A 37 7.646 6.571 -3.979 1.00 0.00 N ATOM 0 H GLN A 37 5.524 8.047 -4.170 1.00 0.00 H new ATOM 0 HA GLN A 37 4.761 7.851 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.655 5.692 -7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.999 6.624 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.289 4.599 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.002 4.489 -5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.327 6.547 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.850 7.093 -3.127 1.00 0.00 H new ATOM 599 N PHE A 38 3.046 5.907 -6.111 1.00 0.00 N ATOM 600 CA PHE A 38 1.809 5.334 -5.478 1.00 0.00 C ATOM 601 C PHE A 38 1.724 3.824 -5.752 1.00 0.00 C ATOM 602 O PHE A 38 2.180 3.345 -6.771 1.00 0.00 O ATOM 603 CB PHE A 38 0.576 6.020 -6.072 1.00 0.00 C ATOM 604 CG PHE A 38 0.641 7.512 -5.827 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.310 8.345 -6.733 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.010 8.064 -4.705 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.359 9.728 -6.509 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.058 9.444 -4.481 1.00 0.00 C ATOM 609 CZ PHE A 38 0.728 10.279 -5.385 1.00 0.00 C ATOM 0 H PHE A 38 3.224 5.602 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 38 1.850 5.501 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.520 5.822 -7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.329 5.609 -5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.788 7.922 -7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.514 7.423 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.883 10.369 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.422 9.866 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.758 11.345 -5.216 1.00 0.00 H new ATOM 619 N VAL A 39 1.131 3.077 -4.845 1.00 0.00 N ATOM 620 CA VAL A 39 0.989 1.593 -5.022 1.00 0.00 C ATOM 621 C VAL A 39 -0.506 1.262 -5.143 1.00 0.00 C ATOM 622 O VAL A 39 -1.348 2.065 -4.801 1.00 0.00 O ATOM 623 CB VAL A 39 1.591 0.875 -3.788 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.083 0.596 -4.018 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.423 1.762 -2.545 1.00 0.00 C ATOM 0 H VAL A 39 0.734 3.439 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 39 1.514 1.261 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 39 1.069 -0.070 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.497 0.091 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.203 -0.039 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.609 1.537 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.847 1.256 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.940 2.709 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.363 1.951 -2.373 1.00 0.00 H new ATOM 635 N TYR A 40 -0.841 0.095 -5.645 1.00 0.00 N ATOM 636 CA TYR A 40 -2.288 -0.285 -5.802 1.00 0.00 C ATOM 637 C TYR A 40 -2.520 -1.735 -5.362 1.00 0.00 C ATOM 638 O TYR A 40 -1.633 -2.562 -5.412 1.00 0.00 O ATOM 639 CB TYR A 40 -2.694 -0.123 -7.270 1.00 0.00 C ATOM 640 CG TYR A 40 -2.748 1.348 -7.585 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.928 2.058 -7.351 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.612 2.009 -8.060 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.982 3.429 -7.606 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.659 3.387 -8.309 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.845 4.100 -8.077 1.00 0.00 C ATOM 646 OH TYR A 40 -2.894 5.460 -8.308 1.00 0.00 O ATOM 0 H TYR A 40 -0.175 -0.613 -5.954 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.894 0.367 -5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.977 -0.625 -7.920 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.665 -0.586 -7.449 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.800 1.545 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.699 1.459 -8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.900 3.973 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.783 3.900 -8.679 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.022 5.769 -8.631 1.00 0.00 H new ATOM 656 N SER A 41 -3.722 -2.045 -4.942 1.00 0.00 N ATOM 657 CA SER A 41 -4.039 -3.437 -4.510 1.00 0.00 C ATOM 658 C SER A 41 -5.555 -3.571 -4.359 1.00 0.00 C ATOM 659 O SER A 41 -6.241 -2.620 -4.043 1.00 0.00 O ATOM 660 CB SER A 41 -3.369 -3.747 -3.170 1.00 0.00 C ATOM 661 OG SER A 41 -3.492 -5.138 -2.899 1.00 0.00 O ATOM 0 H SER A 41 -4.500 -1.388 -4.880 1.00 0.00 H new ATOM 0 HA SER A 41 -3.667 -4.138 -5.257 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.318 -3.461 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.834 -3.166 -2.374 1.00 0.00 H new ATOM 0 HG SER A 41 -2.686 -5.454 -2.440 1.00 0.00 H new ATOM 667 N TRP A 42 -6.082 -4.742 -4.585 1.00 0.00 N ATOM 668 CA TRP A 42 -7.557 -4.941 -4.464 1.00 0.00 C ATOM 669 C TRP A 42 -7.905 -5.276 -3.011 1.00 0.00 C ATOM 670 O TRP A 42 -9.044 -5.550 -2.689 1.00 0.00 O ATOM 671 CB TRP A 42 -7.981 -6.106 -5.380 1.00 0.00 C ATOM 672 CG TRP A 42 -8.284 -5.611 -6.754 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.482 -5.778 -7.825 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.456 -4.883 -7.225 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.082 -5.196 -8.923 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.299 -4.631 -8.606 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.628 -4.419 -6.596 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.264 -3.946 -9.341 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.603 -3.728 -7.333 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.421 -3.491 -8.704 1.00 0.00 C ATOM 0 H TRP A 42 -5.554 -5.574 -4.849 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.081 -4.032 -4.760 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.185 -6.850 -5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.858 -6.601 -4.965 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.528 -6.284 -7.824 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.674 -5.185 -9.858 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.777 -4.596 -5.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.119 -3.768 -10.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.498 -3.377 -6.842 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.174 -2.958 -9.266 1.00 0.00 H new ATOM 691 N LYS A 43 -6.933 -5.262 -2.134 1.00 0.00 N ATOM 692 CA LYS A 43 -7.200 -5.587 -0.696 1.00 0.00 C ATOM 693 C LYS A 43 -6.552 -4.526 0.195 1.00 0.00 C ATOM 694 O LYS A 43 -5.585 -3.898 -0.176 1.00 0.00 O ATOM 695 CB LYS A 43 -6.605 -6.967 -0.378 1.00 0.00 C ATOM 696 CG LYS A 43 -5.327 -7.175 -1.196 1.00 0.00 C ATOM 697 CD LYS A 43 -4.481 -8.292 -0.575 1.00 0.00 C ATOM 698 CE LYS A 43 -5.180 -9.643 -0.744 1.00 0.00 C ATOM 699 NZ LYS A 43 -6.289 -9.765 0.241 1.00 0.00 N ATOM 0 H LYS A 43 -5.962 -5.039 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.274 -5.600 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.384 -7.043 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.329 -7.749 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.582 -7.430 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.753 -6.249 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.500 -8.321 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.318 -8.089 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.570 -9.736 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.465 -10.453 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.281 -10.718 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.164 -9.058 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.198 -9.603 -0.238 1.00 0.00 H new ATOM 713 N LEU A 44 -7.099 -4.326 1.368 1.00 0.00 N ATOM 714 CA LEU A 44 -6.553 -3.305 2.311 1.00 0.00 C ATOM 715 C LEU A 44 -5.555 -3.960 3.271 1.00 0.00 C ATOM 716 O LEU A 44 -4.449 -3.487 3.454 1.00 0.00 O ATOM 717 CB LEU A 44 -7.724 -2.736 3.122 1.00 0.00 C ATOM 718 CG LEU A 44 -7.261 -1.571 4.010 1.00 0.00 C ATOM 719 CD1 LEU A 44 -7.043 -0.306 3.166 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.337 -1.297 5.068 1.00 0.00 C ATOM 0 H LEU A 44 -7.912 -4.835 1.716 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.045 -2.518 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.508 -2.394 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.158 -3.521 3.742 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.319 -1.838 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.715 0.510 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.282 -0.500 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.977 -0.029 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.019 -0.471 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.274 -1.036 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.484 -2.189 5.677 1.00 0.00 H new ATOM 732 N VAL A 45 -5.956 -5.035 3.898 1.00 0.00 N ATOM 733 CA VAL A 45 -5.063 -5.744 4.881 1.00 0.00 C ATOM 734 C VAL A 45 -4.717 -7.151 4.375 1.00 0.00 C ATOM 735 O VAL A 45 -5.193 -7.589 3.347 1.00 0.00 O ATOM 736 CB VAL A 45 -5.790 -5.858 6.219 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.873 -4.478 6.871 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.203 -6.397 5.982 1.00 0.00 C ATOM 0 H VAL A 45 -6.874 -5.462 3.774 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.141 -5.175 4.997 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.246 -6.537 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.392 -4.558 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.867 -4.092 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.420 -3.799 6.217 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.725 -6.480 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.747 -5.716 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.144 -7.380 5.514 1.00 0.00 H new ATOM 748 N ALA A 46 -3.872 -7.852 5.091 1.00 0.00 N ATOM 749 CA ALA A 46 -3.460 -9.229 4.667 1.00 0.00 C ATOM 750 C ALA A 46 -4.618 -10.223 4.819 1.00 0.00 C ATOM 751 O ALA A 46 -4.665 -11.234 4.145 1.00 0.00 O ATOM 752 CB ALA A 46 -2.281 -9.685 5.533 1.00 0.00 C ATOM 0 H ALA A 46 -3.446 -7.527 5.959 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.171 -9.199 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.974 -10.687 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.447 -8.996 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.582 -9.698 6.580 1.00 0.00 H new ATOM 758 N THR A 47 -5.545 -9.964 5.703 1.00 0.00 N ATOM 759 CA THR A 47 -6.677 -10.927 5.890 1.00 0.00 C ATOM 760 C THR A 47 -7.789 -10.645 4.873 1.00 0.00 C ATOM 761 O THR A 47 -8.730 -11.403 4.754 1.00 0.00 O ATOM 762 CB THR A 47 -7.255 -10.781 7.304 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.805 -9.482 7.458 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.161 -10.999 8.350 1.00 0.00 C ATOM 0 H THR A 47 -5.571 -9.137 6.299 1.00 0.00 H new ATOM 0 HA THR A 47 -6.297 -11.938 5.744 1.00 0.00 H new ATOM 0 HB THR A 47 -8.034 -11.530 7.447 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.176 -9.389 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.586 -10.892 9.348 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.745 -12.000 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.372 -10.260 8.211 1.00 0.00 H new ATOM 772 N ASP A 48 -7.698 -9.574 4.136 1.00 0.00 N ATOM 773 CA ASP A 48 -8.761 -9.277 3.132 1.00 0.00 C ATOM 774 C ASP A 48 -8.615 -10.214 1.928 1.00 0.00 C ATOM 775 O ASP A 48 -7.668 -10.968 1.824 1.00 0.00 O ATOM 776 CB ASP A 48 -8.642 -7.819 2.671 1.00 0.00 C ATOM 777 CG ASP A 48 -9.215 -6.888 3.740 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.598 -7.383 4.786 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.259 -5.697 3.494 1.00 0.00 O ATOM 0 H ASP A 48 -6.939 -8.894 4.183 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.739 -9.432 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.597 -7.572 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.176 -7.681 1.731 1.00 0.00 H new ATOM 784 N ARG A 49 -9.543 -10.157 1.006 1.00 0.00 N ATOM 785 CA ARG A 49 -9.466 -11.019 -0.216 1.00 0.00 C ATOM 786 C ARG A 49 -9.909 -10.175 -1.412 1.00 0.00 C ATOM 787 O ARG A 49 -10.707 -9.267 -1.277 1.00 0.00 O ATOM 788 CB ARG A 49 -10.379 -12.260 -0.061 1.00 0.00 C ATOM 789 CG ARG A 49 -9.554 -13.481 0.389 1.00 0.00 C ATOM 790 CD ARG A 49 -8.602 -13.948 -0.738 1.00 0.00 C ATOM 791 NE ARG A 49 -8.461 -15.433 -0.686 1.00 0.00 N ATOM 792 CZ ARG A 49 -7.943 -16.074 -1.700 1.00 0.00 C ATOM 793 NH1 ARG A 49 -7.441 -15.406 -2.704 1.00 0.00 N ATOM 794 NH2 ARG A 49 -7.904 -17.381 -1.703 1.00 0.00 N ATOM 0 H ARG A 49 -10.358 -9.545 1.047 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.447 -11.376 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.163 -12.054 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.873 -12.476 -1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.976 -13.227 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.223 -14.295 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.993 -13.643 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.627 -13.475 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.769 -15.947 0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.454 -14.386 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.036 -15.904 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.279 -17.904 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.499 -17.877 -2.497 1.00 0.00 H new ATOM 808 N VAL A 50 -9.384 -10.448 -2.575 1.00 0.00 N ATOM 809 CA VAL A 50 -9.760 -9.644 -3.765 1.00 0.00 C ATOM 810 C VAL A 50 -11.110 -10.138 -4.329 1.00 0.00 C ATOM 811 O VAL A 50 -11.342 -11.328 -4.410 1.00 0.00 O ATOM 812 CB VAL A 50 -8.679 -9.805 -4.836 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.338 -9.324 -4.293 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.561 -11.274 -5.232 1.00 0.00 C ATOM 0 H VAL A 50 -8.711 -11.194 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.853 -8.596 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.953 -9.212 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.572 -9.441 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.414 -8.273 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.068 -9.914 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.790 -11.384 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.293 -11.866 -4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.515 -11.622 -5.627 1.00 0.00 H new ATOM 824 N PRO A 51 -11.995 -9.247 -4.740 1.00 0.00 N ATOM 825 CA PRO A 51 -13.309 -9.650 -5.321 1.00 0.00 C ATOM 826 C PRO A 51 -13.151 -10.772 -6.361 1.00 0.00 C ATOM 827 O PRO A 51 -12.218 -10.782 -7.138 1.00 0.00 O ATOM 828 CB PRO A 51 -13.826 -8.367 -5.992 1.00 0.00 C ATOM 829 CG PRO A 51 -13.176 -7.239 -5.251 1.00 0.00 C ATOM 830 CD PRO A 51 -11.855 -7.778 -4.683 1.00 0.00 C ATOM 0 HA PRO A 51 -13.987 -10.043 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.564 -8.344 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.912 -8.302 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.994 -6.395 -5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.822 -6.880 -4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.003 -7.438 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.694 -7.435 -3.661 1.00 0.00 H new ATOM 838 N ALA A 52 -14.054 -11.713 -6.378 1.00 0.00 N ATOM 839 CA ALA A 52 -13.954 -12.827 -7.365 1.00 0.00 C ATOM 840 C ALA A 52 -13.704 -12.264 -8.767 1.00 0.00 C ATOM 841 O ALA A 52 -14.369 -11.346 -9.208 1.00 0.00 O ATOM 842 CB ALA A 52 -15.256 -13.634 -7.360 1.00 0.00 C ATOM 0 H ALA A 52 -14.857 -11.760 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.122 -13.475 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.182 -14.448 -8.081 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.425 -14.045 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.088 -12.984 -7.630 1.00 0.00 H new ATOM 848 N GLY A 53 -12.743 -12.816 -9.467 1.00 0.00 N ATOM 849 CA GLY A 53 -12.415 -12.339 -10.851 1.00 0.00 C ATOM 850 C GLY A 53 -11.004 -11.744 -10.853 1.00 0.00 C ATOM 851 O GLY A 53 -10.296 -11.801 -11.840 1.00 0.00 O ATOM 0 H GLY A 53 -12.163 -13.587 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.476 -13.166 -11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.139 -11.591 -11.173 1.00 0.00 H new ATOM 855 N LYS A 54 -10.589 -11.179 -9.750 1.00 0.00 N ATOM 856 CA LYS A 54 -9.226 -10.582 -9.671 1.00 0.00 C ATOM 857 C LYS A 54 -8.266 -11.624 -9.085 1.00 0.00 C ATOM 858 O LYS A 54 -8.635 -12.416 -8.242 1.00 0.00 O ATOM 859 CB LYS A 54 -9.277 -9.350 -8.759 1.00 0.00 C ATOM 860 CG LYS A 54 -9.901 -8.161 -9.510 1.00 0.00 C ATOM 861 CD LYS A 54 -11.354 -8.476 -9.884 1.00 0.00 C ATOM 862 CE LYS A 54 -12.089 -7.188 -10.276 1.00 0.00 C ATOM 863 NZ LYS A 54 -12.347 -6.363 -9.064 1.00 0.00 N ATOM 0 H LYS A 54 -11.141 -11.106 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.881 -10.285 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.861 -9.573 -7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.272 -9.093 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.864 -7.268 -8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.324 -7.946 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.379 -9.184 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.859 -8.951 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.493 -6.622 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.031 -7.432 -10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.320 -5.997 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.223 -6.948 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.678 -5.567 -9.037 1.00 0.00 H new ATOM 877 N ARG A 55 -7.037 -11.632 -9.527 1.00 0.00 N ATOM 878 CA ARG A 55 -6.062 -12.627 -8.993 1.00 0.00 C ATOM 879 C ARG A 55 -5.590 -12.161 -7.614 1.00 0.00 C ATOM 880 O ARG A 55 -5.560 -10.980 -7.331 1.00 0.00 O ATOM 881 CB ARG A 55 -4.860 -12.742 -9.946 1.00 0.00 C ATOM 882 CG ARG A 55 -5.349 -13.041 -11.389 1.00 0.00 C ATOM 883 CD ARG A 55 -5.381 -11.751 -12.220 1.00 0.00 C ATOM 884 NE ARG A 55 -4.013 -11.461 -12.723 1.00 0.00 N ATOM 885 CZ ARG A 55 -3.843 -10.588 -13.675 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.875 -9.985 -14.201 1.00 0.00 N ATOM 887 NH2 ARG A 55 -2.639 -10.318 -14.101 1.00 0.00 N ATOM 0 H ARG A 55 -6.667 -10.995 -10.232 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.538 -13.604 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.286 -11.816 -9.933 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.193 -13.535 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.688 -13.769 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.343 -13.486 -11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.073 -11.859 -13.055 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.742 -10.921 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.209 -11.945 -12.324 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.815 -10.197 -13.867 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.741 -9.302 -14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.834 -10.790 -13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.503 -9.635 -14.846 1.00 0.00 H new ATOM 901 N ASP A 56 -5.236 -13.069 -6.747 1.00 0.00 N ATOM 902 CA ASP A 56 -4.789 -12.657 -5.387 1.00 0.00 C ATOM 903 C ASP A 56 -3.731 -11.555 -5.499 1.00 0.00 C ATOM 904 O ASP A 56 -3.139 -11.351 -6.540 1.00 0.00 O ATOM 905 CB ASP A 56 -4.203 -13.863 -4.648 1.00 0.00 C ATOM 906 CG ASP A 56 -4.041 -13.516 -3.167 1.00 0.00 C ATOM 907 OD1 ASP A 56 -5.049 -13.287 -2.516 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.912 -13.481 -2.709 1.00 0.00 O ATOM 0 H ASP A 56 -5.237 -14.074 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.645 -12.275 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.857 -14.727 -4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.239 -14.134 -5.078 1.00 0.00 H new ATOM 913 N CYS A 57 -3.491 -10.839 -4.432 1.00 0.00 N ATOM 914 CA CYS A 57 -2.472 -9.751 -4.467 1.00 0.00 C ATOM 915 C CYS A 57 -1.942 -9.516 -3.056 1.00 0.00 C ATOM 916 O CYS A 57 -2.419 -10.089 -2.095 1.00 0.00 O ATOM 917 CB CYS A 57 -3.103 -8.458 -4.990 1.00 0.00 C ATOM 918 SG CYS A 57 -1.809 -7.214 -5.244 1.00 0.00 S ATOM 0 H CYS A 57 -3.959 -10.962 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.657 -10.044 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.627 -8.649 -5.926 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.843 -8.089 -4.280 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.032 -6.192 -4.471 1.00 0.00 H new ATOM 924 N ILE A 58 -0.949 -8.683 -2.927 1.00 0.00 N ATOM 925 CA ILE A 58 -0.363 -8.395 -1.585 1.00 0.00 C ATOM 926 C ILE A 58 -1.064 -7.177 -0.977 1.00 0.00 C ATOM 927 O ILE A 58 -1.226 -6.162 -1.623 1.00 0.00 O ATOM 928 CB ILE A 58 1.134 -8.109 -1.756 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.825 -9.321 -2.428 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.775 -7.811 -0.391 1.00 0.00 C ATOM 931 CD1 ILE A 58 2.174 -10.410 -1.401 1.00 0.00 C ATOM 0 H ILE A 58 -0.512 -8.183 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.499 -9.249 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 58 1.261 -7.234 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.169 -9.737 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.733 -8.990 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.838 -7.609 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.294 -6.940 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.649 -8.672 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.658 -11.246 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.850 -10.000 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.262 -10.758 -0.916 1.00 0.00 H new ATOM 943 N SER A 59 -1.475 -7.265 0.258 1.00 0.00 N ATOM 944 CA SER A 59 -2.157 -6.106 0.903 1.00 0.00 C ATOM 945 C SER A 59 -1.254 -4.878 0.817 1.00 0.00 C ATOM 946 O SER A 59 -0.072 -4.990 0.563 1.00 0.00 O ATOM 947 CB SER A 59 -2.406 -6.432 2.363 1.00 0.00 C ATOM 948 OG SER A 59 -3.031 -5.323 2.989 1.00 0.00 O ATOM 0 H SER A 59 -1.368 -8.089 0.849 1.00 0.00 H new ATOM 0 HA SER A 59 -3.101 -5.906 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.038 -7.316 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.465 -6.664 2.862 1.00 0.00 H new ATOM 0 HG SER A 59 -3.616 -4.871 2.346 1.00 0.00 H new ATOM 954 N LEU A 60 -1.785 -3.705 1.035 1.00 0.00 N ATOM 955 CA LEU A 60 -0.914 -2.499 0.970 1.00 0.00 C ATOM 956 C LEU A 60 0.004 -2.500 2.183 1.00 0.00 C ATOM 957 O LEU A 60 1.214 -2.468 2.066 1.00 0.00 O ATOM 958 CB LEU A 60 -1.747 -1.209 1.011 1.00 0.00 C ATOM 959 CG LEU A 60 -2.666 -1.098 -0.233 1.00 0.00 C ATOM 960 CD1 LEU A 60 -4.074 -1.580 0.126 1.00 0.00 C ATOM 961 CD2 LEU A 60 -2.742 0.364 -0.695 1.00 0.00 C ATOM 0 H LEU A 60 -2.767 -3.532 1.251 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.351 -2.530 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.353 -1.192 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.084 -0.345 1.055 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.256 -1.714 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.719 -1.502 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.031 -2.619 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.476 -0.963 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.389 0.436 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.148 0.979 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.743 0.717 -0.953 1.00 0.00 H new ATOM 973 N ARG A 61 -0.571 -2.525 3.354 1.00 0.00 N ATOM 974 CA ARG A 61 0.245 -2.507 4.597 1.00 0.00 C ATOM 975 C ARG A 61 1.394 -3.502 4.467 1.00 0.00 C ATOM 976 O ARG A 61 2.516 -3.217 4.833 1.00 0.00 O ATOM 977 CB ARG A 61 -0.648 -2.878 5.785 1.00 0.00 C ATOM 978 CG ARG A 61 -1.978 -2.088 5.701 1.00 0.00 C ATOM 979 CD ARG A 61 -2.456 -1.670 7.097 1.00 0.00 C ATOM 980 NE ARG A 61 -3.647 -0.790 6.957 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.438 -0.593 7.974 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.202 -1.191 9.110 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.471 0.195 7.853 1.00 0.00 N ATOM 0 H ARG A 61 -1.580 -2.557 3.502 1.00 0.00 H new ATOM 0 HA ARG A 61 0.660 -1.512 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.849 -3.949 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.138 -2.652 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.841 -1.203 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.740 -2.701 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.706 -2.551 7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.660 -1.146 7.626 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.845 -0.340 6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.398 -1.813 9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.821 -1.037 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.659 0.656 6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.090 0.350 8.648 1.00 0.00 H new ATOM 997 N GLU A 62 1.133 -4.657 3.929 1.00 0.00 N ATOM 998 CA GLU A 62 2.227 -5.645 3.762 1.00 0.00 C ATOM 999 C GLU A 62 3.198 -5.133 2.696 1.00 0.00 C ATOM 1000 O GLU A 62 4.400 -5.234 2.838 1.00 0.00 O ATOM 1001 CB GLU A 62 1.646 -6.991 3.317 1.00 0.00 C ATOM 1002 CG GLU A 62 0.907 -7.648 4.484 1.00 0.00 C ATOM 1003 CD GLU A 62 1.914 -8.044 5.567 1.00 0.00 C ATOM 1004 OE1 GLU A 62 2.747 -8.893 5.293 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.841 -7.486 6.649 1.00 0.00 O ATOM 0 H GLU A 62 0.216 -4.958 3.600 1.00 0.00 H new ATOM 0 HA GLU A 62 2.749 -5.777 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.964 -6.844 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.445 -7.644 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.168 -6.960 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.366 -8.528 4.137 1.00 0.00 H new ATOM 1012 N LYS A 63 2.687 -4.587 1.626 1.00 0.00 N ATOM 1013 CA LYS A 63 3.587 -4.077 0.552 1.00 0.00 C ATOM 1014 C LYS A 63 4.382 -2.867 1.065 1.00 0.00 C ATOM 1015 O LYS A 63 5.564 -2.743 0.813 1.00 0.00 O ATOM 1016 CB LYS A 63 2.760 -3.675 -0.672 1.00 0.00 C ATOM 1017 CG LYS A 63 3.702 -3.442 -1.855 1.00 0.00 C ATOM 1018 CD LYS A 63 2.957 -2.736 -2.992 1.00 0.00 C ATOM 1019 CE LYS A 63 1.757 -3.576 -3.438 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.327 -3.130 -4.793 1.00 0.00 N ATOM 0 H LYS A 63 1.689 -4.472 1.449 1.00 0.00 H new ATOM 0 HA LYS A 63 4.284 -4.866 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.039 -4.457 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.190 -2.770 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.553 -2.839 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.099 -4.394 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.620 -1.754 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.631 -2.575 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.024 -4.633 -3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.937 -3.467 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.294 -3.006 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.787 -2.226 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.599 -3.846 -5.497 1.00 0.00 H new ATOM 1034 N ILE A 64 3.755 -1.975 1.786 1.00 0.00 N ATOM 1035 CA ILE A 64 4.503 -0.794 2.308 1.00 0.00 C ATOM 1036 C ILE A 64 5.734 -1.294 3.078 1.00 0.00 C ATOM 1037 O ILE A 64 6.839 -0.834 2.867 1.00 0.00 O ATOM 1038 CB ILE A 64 3.561 0.037 3.230 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.763 1.061 2.396 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.349 0.785 4.320 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.624 0.353 1.662 1.00 0.00 C ATOM 0 H ILE A 64 2.766 -2.012 2.034 1.00 0.00 H new ATOM 0 HA ILE A 64 4.837 -0.153 1.492 1.00 0.00 H new ATOM 0 HB ILE A 64 2.879 -0.664 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.362 1.839 3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.421 1.552 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.658 1.353 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.888 0.066 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.060 1.466 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.063 1.079 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.036 -0.409 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.960 -0.117 2.388 1.00 0.00 H new ATOM 1053 N ALA A 65 5.553 -2.228 3.969 1.00 0.00 N ATOM 1054 CA ALA A 65 6.711 -2.748 4.755 1.00 0.00 C ATOM 1055 C ALA A 65 7.778 -3.315 3.816 1.00 0.00 C ATOM 1056 O ALA A 65 8.961 -3.143 4.034 1.00 0.00 O ATOM 1057 CB ALA A 65 6.231 -3.860 5.686 1.00 0.00 C ATOM 0 H ALA A 65 4.653 -2.655 4.189 1.00 0.00 H new ATOM 0 HA ALA A 65 7.139 -1.930 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.074 -4.242 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.477 -3.465 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.799 -4.668 5.095 1.00 0.00 H new ATOM 1063 N GLU A 66 7.373 -4.009 2.790 1.00 0.00 N ATOM 1064 CA GLU A 66 8.368 -4.612 1.855 1.00 0.00 C ATOM 1065 C GLU A 66 9.059 -3.536 1.014 1.00 0.00 C ATOM 1066 O GLU A 66 10.252 -3.585 0.791 1.00 0.00 O ATOM 1067 CB GLU A 66 7.647 -5.578 0.914 1.00 0.00 C ATOM 1068 CG GLU A 66 7.216 -6.823 1.690 1.00 0.00 C ATOM 1069 CD GLU A 66 6.264 -7.654 0.830 1.00 0.00 C ATOM 1070 OE1 GLU A 66 5.521 -7.064 0.063 1.00 0.00 O ATOM 1071 OE2 GLU A 66 6.292 -8.867 0.953 1.00 0.00 O ATOM 0 H GLU A 66 6.396 -4.186 2.557 1.00 0.00 H new ATOM 0 HA GLU A 66 9.121 -5.133 2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.776 -5.092 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.304 -5.859 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.089 -7.416 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.725 -6.534 2.619 1.00 0.00 H new ATOM 1078 N LEU A 67 8.319 -2.587 0.517 1.00 0.00 N ATOM 1079 CA LEU A 67 8.935 -1.539 -0.345 1.00 0.00 C ATOM 1080 C LEU A 67 9.881 -0.643 0.451 1.00 0.00 C ATOM 1081 O LEU A 67 10.945 -0.318 -0.012 1.00 0.00 O ATOM 1082 CB LEU A 67 7.821 -0.680 -0.973 1.00 0.00 C ATOM 1083 CG LEU A 67 7.369 -1.284 -2.314 1.00 0.00 C ATOM 1084 CD1 LEU A 67 6.036 -0.654 -2.734 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.427 -1.011 -3.406 1.00 0.00 C ATOM 0 H LEU A 67 7.315 -2.490 0.669 1.00 0.00 H new ATOM 0 HA LEU A 67 9.516 -2.035 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.973 -0.618 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.181 0.337 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 67 7.249 -2.361 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.715 -1.081 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.283 -0.855 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.161 0.423 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.095 -1.443 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.557 0.065 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.376 -1.461 -3.114 1.00 0.00 H new ATOM 1097 N GLN A 68 9.506 -0.217 1.616 1.00 0.00 N ATOM 1098 CA GLN A 68 10.403 0.688 2.387 1.00 0.00 C ATOM 1099 C GLN A 68 11.613 -0.083 2.922 1.00 0.00 C ATOM 1100 O GLN A 68 12.719 0.418 2.942 1.00 0.00 O ATOM 1101 CB GLN A 68 9.611 1.295 3.541 1.00 0.00 C ATOM 1102 CG GLN A 68 8.551 2.234 2.964 1.00 0.00 C ATOM 1103 CD GLN A 68 7.773 2.887 4.099 1.00 0.00 C ATOM 1104 OE1 GLN A 68 7.724 4.095 4.202 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.154 2.129 4.959 1.00 0.00 N ATOM 0 H GLN A 68 8.623 -0.452 2.070 1.00 0.00 H new ATOM 0 HA GLN A 68 10.771 1.480 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.139 0.509 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.276 1.841 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.025 2.998 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.872 1.678 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.198 1.114 4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.625 2.551 5.723 1.00 0.00 H new ATOM 1114 N LYS A 69 11.409 -1.290 3.355 1.00 0.00 N ATOM 1115 CA LYS A 69 12.535 -2.104 3.895 1.00 0.00 C ATOM 1116 C LYS A 69 13.430 -2.614 2.753 1.00 0.00 C ATOM 1117 O LYS A 69 14.640 -2.627 2.862 1.00 0.00 O ATOM 1118 CB LYS A 69 11.935 -3.291 4.657 1.00 0.00 C ATOM 1119 CG LYS A 69 13.048 -4.199 5.195 1.00 0.00 C ATOM 1120 CD LYS A 69 12.486 -5.134 6.283 1.00 0.00 C ATOM 1121 CE LYS A 69 11.611 -6.225 5.655 1.00 0.00 C ATOM 1122 NZ LYS A 69 12.369 -6.933 4.584 1.00 0.00 N ATOM 0 H LYS A 69 10.502 -1.756 3.360 1.00 0.00 H new ATOM 0 HA LYS A 69 13.150 -1.494 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.322 -2.929 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.279 -3.860 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.473 -4.788 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.856 -3.593 5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.306 -5.591 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.900 -4.557 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.296 -6.935 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.706 -5.782 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.970 -7.884 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.298 -6.396 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.368 -7.013 4.861 1.00 0.00 H new ATOM 1136 N ASP A 70 12.843 -3.059 1.674 1.00 0.00 N ATOM 1137 CA ASP A 70 13.657 -3.601 0.539 1.00 0.00 C ATOM 1138 C ASP A 70 14.580 -2.527 -0.047 1.00 0.00 C ATOM 1139 O ASP A 70 15.683 -2.813 -0.467 1.00 0.00 O ATOM 1140 CB ASP A 70 12.726 -4.098 -0.573 1.00 0.00 C ATOM 1141 CG ASP A 70 11.993 -5.356 -0.108 1.00 0.00 C ATOM 1142 OD1 ASP A 70 12.430 -5.946 0.865 1.00 0.00 O ATOM 1143 OD2 ASP A 70 11.004 -5.705 -0.731 1.00 0.00 O ATOM 0 H ASP A 70 11.834 -3.072 1.526 1.00 0.00 H new ATOM 0 HA ASP A 70 14.264 -4.419 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.007 -3.321 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.302 -4.313 -1.473 1.00 0.00 H new ATOM 1148 N ILE A 71 14.136 -1.303 -0.105 1.00 0.00 N ATOM 1149 CA ILE A 71 14.989 -0.231 -0.695 1.00 0.00 C ATOM 1150 C ILE A 71 15.985 0.286 0.345 1.00 0.00 C ATOM 1151 O ILE A 71 17.143 0.516 0.049 1.00 0.00 O ATOM 1152 CB ILE A 71 14.077 0.907 -1.167 1.00 0.00 C ATOM 1153 CG1 ILE A 71 13.324 1.479 0.050 1.00 0.00 C ATOM 1154 CG2 ILE A 71 13.093 0.347 -2.204 1.00 0.00 C ATOM 1155 CD1 ILE A 71 12.208 2.430 -0.399 1.00 0.00 C ATOM 0 H ILE A 71 13.222 -0.998 0.229 1.00 0.00 H new ATOM 0 HA ILE A 71 15.555 -0.628 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 71 14.658 1.707 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.900 0.664 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.021 2.009 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.436 1.145 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.648 -0.059 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.495 -0.443 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.690 2.822 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.639 3.256 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.500 1.889 -1.028 1.00 0.00 H new ATOM 1167 N HIS A 72 15.547 0.473 1.554 1.00 0.00 N ATOM 1168 CA HIS A 72 16.464 0.979 2.615 1.00 0.00 C ATOM 1169 C HIS A 72 15.911 0.598 3.993 1.00 0.00 C ATOM 1170 O HIS A 72 14.723 0.422 4.167 1.00 0.00 O ATOM 1171 CB HIS A 72 16.560 2.502 2.503 1.00 0.00 C ATOM 1172 CG HIS A 72 17.422 2.881 1.322 1.00 0.00 C ATOM 1173 ND1 HIS A 72 18.793 3.054 1.439 1.00 0.00 N ATOM 1174 CD2 HIS A 72 17.124 3.149 0.002 1.00 0.00 C ATOM 1175 CE1 HIS A 72 19.265 3.410 0.231 1.00 0.00 C ATOM 1176 NE2 HIS A 72 18.290 3.482 -0.680 1.00 0.00 N ATOM 0 H HIS A 72 14.589 0.297 1.858 1.00 0.00 H new ATOM 0 HA HIS A 72 17.453 0.538 2.491 1.00 0.00 H new ATOM 0 HB2 HIS A 72 15.564 2.930 2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 72 16.982 2.916 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 72 16.137 3.107 -0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 72 20.305 3.613 0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 72 18.381 3.729 -1.666 1.00 0.00 H new ATOM 1184 N ASP A 73 16.763 0.477 4.978 1.00 0.00 N ATOM 1185 CA ASP A 73 16.280 0.112 6.344 1.00 0.00 C ATOM 1186 C ASP A 73 15.774 1.364 7.064 1.00 0.00 C ATOM 1187 O ASP A 73 14.609 1.474 7.391 1.00 0.00 O ATOM 1188 CB ASP A 73 17.433 -0.504 7.138 1.00 0.00 C ATOM 1189 CG ASP A 73 17.789 -1.864 6.538 1.00 0.00 C ATOM 1190 OD1 ASP A 73 16.946 -2.428 5.859 1.00 0.00 O ATOM 1191 OD2 ASP A 73 18.900 -2.315 6.762 1.00 0.00 O ATOM 0 H ASP A 73 17.770 0.615 4.896 1.00 0.00 H new ATOM 0 HA ASP A 73 15.466 -0.608 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.300 0.156 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.149 -0.618 8.184 1.00 0.00 H new TER 1196 ASP A 73